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3-{{o-[(2-acetyl-3-oxo-1-butenyl)amino]phenyl}thio}propionitrile
SpectraBase Compound ID 87GVVkJWUR5
InChI InChI=1S/C15H16N2O2S/c1-11(18)13(12(2)19)10-17-14-6-3-4-7-15(14)20-9-5-8-16/h3-4,6-7,10,17H,5,9H2,1-2H3
InChIKey HJCSTJNKPVYDOJ-UHFFFAOYSA-N
Mol Weight 288.36 g/mol
Molecular Formula C15H16N2O2S
Exact Mass 288.093249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTFZ3S7XKTw
Name 3-{{o-[(2-ACETYL-3-OXO-1-BUTENYL)AMINO]PHENYL}THIO}PROPIONITRILE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O2S
InChI InChI=1S/C15H16N2O2S/c1-11(18)13(12(2)19)10-17-14-6-3-4-7-15(14)20-9-5-8-16/h3-4,6-7,10,17H,5,9H2,1-2H3
InChIKey HJCSTJNKPVYDOJ-UHFFFAOYSA-N
Melting Point 107-109C
Molecular Weight 288.37
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PROPIONITRILE, 3-//O-//2-ACETYL- 3-OXO-1-BUTENYL/AMINO/PHENYL/THIO/-,